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FGFR1 inhibitor-16

CAT: 0804-HY-169710Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-169710Size:1 Each
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Description
FGFR1 inhibitor-16 (Compound 89) is an FGFR1 inhibitor. FGFR1 inhibitor-16 exhibits an inhibitory rate of 53.00% against FGFR1 at a concentration of 50 μM and 24.95% at 10 μM. FGFR1 inhibitor-16 can be used in the study of cancer[1].
CAS Number
606958-57-0
UNSPSC
12352005
Target
FGFR
Related Pathways
Protein Tyrosine Kinase/RTK
Field of Research
Cancer
Smiles
O=C1/C(SC2=NC(C3=CC=NC=C3)=NN12)=C\C4=CC=CC([N+]([O-])=O)=C4
Molecular Formula
C16H9N5O3S
Molecular Weight
351.34
References & Citations
[1]Zhou N, et al. Combinatorial Pharmacophore-Based 3D-QSAR Analysis and Virtual Screening of FGFR1 Inhibitors. Int J Mol Sci. 2015 Jun 11;16 (6) :13407-26.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(Z)-5-(3-nitrobenzylidene)-2-(pyridin-4-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
CAS Number606958-57-0
PubChem CID1178224
IUPAC Name(5Z)-5-[(3-nitrophenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Molecular FormulaC16H9N5O3S
Molecular Weight351.3
XLogP3.1
Topological Polar Surface Area132
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity575
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=NC=C4)S2
InChI
InChI=1S/C16H9N5O3S/c22-15-13(9-10-2-1-3-12(8-10)21(23)24)25-16-18-14(19-20(15)16)11-4-6-17-7-5-11/h1-9H/b13-9-
InChIKey
XFMSREGSSQUGAK-LCYFTJDESA-N
Chemical Structure
2D Structure
2D structure of (Z)-5-(3-nitrobenzylidene)-2-(pyridin-4-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
CAS: 606958-57-0
CID: 1178224
Formula: C16H9N5O3S
MW: 351.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.3
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass351.04261034
Monoisotopic Mass351.04261034
Topological Polar Surface Area132 Ų
Heavy Atom Count25
Formal Charge0
Complexity575
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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